1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine

C17H27NO2 — CID 105006124

IUPAC1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)c1ccc(OC)cc1OC
InChIInChI=1S/C17H27NO2/c1-6-10-18-16(11-13(3)7-2)15-9-8-14(19-4)12-17(15)20-5/h8-9,12,16,18H,3,6-7,10-11H2,1-2,4-5H3
InChIKeyBANIVKVHUOYWJD-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.10
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine

1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine (PubChem CID 105006124) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
PubChem CID105006124
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)c1ccc(OC)cc1OC
InChIInChI=1S/C17H27NO2/c1-6-10-18-16(11-13(3)7-2)15-9-8-14(19-4)12-17(15)20-5/h8-9,12,16,18H,3,6-7,10-11H2,1-2,4-5H3
InChIKeyBANIVKVHUOYWJD-UHFFFAOYSA-N
XLogP4.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656011
1-(2,4-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034068
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
CID 66038028
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
[1-(4-bromo-2-methoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105320464
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine (CID 105006124) is 1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine is C=C(CC)CC(NCCC)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine?
The InChIKey is BANIVKVHUOYWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-10-18-16(11-13(3)7-2)15-9-8-14(19-4)12-17(15)20-5/h8-9,12,16,18H,3,6-7,10-11H2,1-2,4-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine?
1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine is sourced from PubChem (CID 105006124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).